(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide

C20H23N3O3S — CID 96996602

IUPAC(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESCCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)sc2c1
InChIInChI=1S/C20H23N3O3S/c1-2-13-7-8-15-18(11-13)27-19(21-15)22-20(25)23-9-3-5-14(23)12-16(24)17-6-4-10-26-17/h4,6-8,10-11,14,16,24H,2-3,5,9,12H2,1H3,(H,21,22,25)/t14-,16-/m1/s1
InChIKeyAMWSLYMSSOCWRQ-GDBMZVCRSA-N
MW385.49 g/mol
LogP4.57
Rot. Bonds5

About (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide

(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide (PubChem CID 96996602) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
PubChem CID96996602
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
SMILESCCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)sc2c1
InChIInChI=1S/C20H23N3O3S/c1-2-13-7-8-15-18(11-13)27-19(21-15)22-20(25)23-9-3-5-14(23)12-16(24)17-6-4-10-26-17/h4,6-8,10-11,14,16,24H,2-3,5,9,12H2,1H3,(H,21,22,25)/t14-,16-/m1/s1
InChIKeyAMWSLYMSSOCWRQ-GDBMZVCRSA-N
XLogP4.57
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718766
(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-N-methoxypyrrolidine-1-carboxamide
CID 99718768
(2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 124591598
2-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-N-(2-methyl-1,3-benzoxazol-6-yl)-2-oxoacetamide
CID 97257617
3-(6-ethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)urea
CID 60577678
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
(2R)-N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide
CID 97320650
(5-ethyl-1H-pyrazol-3-yl)-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97240223
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 115581786
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]propanamide
CID 38999972
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
(5-chlorofuran-2-yl)-[2-[2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 75387563

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide (CID 96996602) is (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide is CCc1ccc2nc(NC(=O)N3CCC[C@@H]3C[C@@H](O)c3ccco3)sc2c1.
What is the InChIKey of (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
The InChIKey is AMWSLYMSSOCWRQ-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-2-13-7-8-15-18(11-13)27-19(21-15)22-20(25)23-9-3-5-14(23)12-16(24)17-6-4-10-26-17/h4,6-8,10-11,14,16,24H,2-3,5,9,12H2,1H3,(H,21,22,25)/t14-,16-/m1/s1.
What are the key properties of (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide?
(2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-ethyl-1,3-benzothiazol-2-yl)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 96996602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).